3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one

C26H28N2O — CID 23436784

IUPAC3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O/c29-25(26(23-12-6-2-7-13-23)24-14-8-3-9-15-24)21-28-18-16-27(17-19-28)20-22-10-4-1-5-11-22/h1-15,26H,16-21H2
InChIKeyNLZZRANUNIBKFM-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.21
Rot. Bonds7

About 3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one

3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one (PubChem CID 23436784) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one
PubChem CID23436784
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O/c29-25(26(23-12-6-2-7-13-23)24-14-8-3-9-15-24)21-28-18-16-27(17-19-28)20-22-10-4-1-5-11-22/h1-15,26H,16-21H2
InChIKeyNLZZRANUNIBKFM-UHFFFAOYSA-N
XLogP4.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 23907830
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one (CID 23436784) is 3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one is O=C(CN1CCN(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one?
The InChIKey is NLZZRANUNIBKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c29-25(26(23-12-6-2-7-13-23)24-14-8-3-9-15-24)21-28-18-16-27(17-19-28)20-22-10-4-1-5-11-22/h1-15,26H,16-21H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one?
3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one has a molecular weight of 384.52 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one is sourced from PubChem (CID 23436784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).